Information card for entry 7034799

Structure parameters

• Formula: C7 H17 Cl N2
• Calculated formula: C7 H17 Cl N2
• SMILES: [Cl-].[N+]1(CCN(CC1)C)(C)C
• Title of publication: Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.
• Authors of publication: Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9569 - 9580
• a: 8.3293 ± 0.0006 Å
• b: 10.3564 ± 0.0007 Å
• c: 10.3564 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 893.36 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No